2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide

C28H25F2N3O2 — CID 58154511

IUPAC2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2ccc(-c3cccc(C(F)F)c3)nc12
InChIInChI=1S/C28H25F2N3O2/c29-27(30)22-5-1-4-21(17-22)25-12-9-20-3-2-6-24(26(20)32-25)28(34)31-23-10-7-19(8-11-23)18-33-13-15-35-16-14-33/h1-12,17,27H,13-16,18H2,(H,31,34)
InChIKeyJCFFPPVUJXYNFY-UHFFFAOYSA-N
MW473.52 g/mol
LogP5.92
Rot. Bonds6

About 2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide

2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide (PubChem CID 58154511) has the molecular formula C28H25F2N3O2 and a molecular weight of 473.52 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide
PubChem CID58154511
Molecular FormulaC28H25F2N3O2
Molecular Weight473.52 g/mol
Exact Mass473.19
IUPAC Name2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2ccc(-c3cccc(C(F)F)c3)nc12
InChIInChI=1S/C28H25F2N3O2/c29-27(30)22-5-1-4-21(17-22)25-12-9-20-3-2-6-24(26(20)32-25)28(34)31-23-10-7-19(8-11-23)18-33-13-15-35-16-14-33/h1-12,17,27H,13-16,18H2,(H,31,34)
InChIKeyJCFFPPVUJXYNFY-UHFFFAOYSA-N
XLogP5.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154754
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 979219
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730961
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-phenylbenzoate
CID 55530061
2-chloro-N-[3-[4-(morpholin-4-ylmethyl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 112772284
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide (CID 58154511) is 2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2ccc(-c3cccc(C(F)F)c3)nc12.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide?
The InChIKey is JCFFPPVUJXYNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N3O2/c29-27(30)22-5-1-4-21(17-22)25-12-9-20-3-2-6-24(26(20)32-25)28(34)31-23-10-7-19(8-11-23)18-33-13-15-35-16-14-33/h1-12,17,27H,13-16,18H2,(H,31,34).
What are the key properties of 2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide?
2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide has a molecular weight of 473.52 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 58154511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).